Documentation ¶
Overview ¶
Package gr calculates the radial distribution function and its integral.
Index ¶
Constants ¶
This section is empty.
Variables ¶
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var Type = "gr"
Type is the type of calculation.
Functions ¶
This section is empty.
Types ¶
type GR ¶
type GR struct { FileIn string `toml:"gr.file_in"` FileOut string `toml:"gr.file_out"` CfgStart int `toml:"gr.cfg_start"` CfgEnd int `toml:"gr.cfg_end"` Atoms map[string][]string `toml:"gr.atoms"` RMax float64 `toml:"gr.rmax"` Dr float64 `toml:"gr.dr"` // contains filtered or unexported fields }
GR is a structure containing the parameters that can be parsed from a TOML configuration file. This structure can be instanced through the New method. It also contains other unexported informations like the number of atoms, the number of columns, the size of the box, the average size of the box, ... CfgStart must be lower than CfgEnd.
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